CID 4116

Methoxyflurane

Structural Information

Molecular Formula

C₃H₄Cl₂F₂O

SMILES

COC(C(Cl)Cl)(F)F

InChI

InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3

InChIKey

RFKMCNOHBTXSMU-UHFFFAOYSA-N

Compound name

2,2-dichloro-1,1-difluoro-1-methoxyethane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2139
References: 10778
Patents: 163.96072 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	164.96800	121.4
[M+Na]+	186.94994	131.3
[M-H]-	162.95344	119.2
[M+NH4]+	181.99454	143.4
[M+K]+	202.92388	128.4
[M+H-H2O]+	146.95798	118.0
[M+HCOO]-	208.95892	132.4
[M+CH3COO]-	222.97457	175.7
[M+Na-2H]-	184.93539	127.5
[M]+	163.96017	122.2
[M]-	163.96127	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe